1,3-dimethyl-2-propan-2-yl-5H-pyrrolo[3,2-c]pyridin-6-one

C12H16N2O — CID 59974886

IUPAC1,3-dimethyl-2-propan-2-yl-5H-pyrrolo[3,2-c]pyridin-6-one
SMILESCc1c(C(C)C)n(C)c2cc(=O)[nH]cc12
InChIInChI=1S/C12H16N2O/c1-7(2)12-8(3)9-6-13-11(15)5-10(9)14(12)4/h5-7H,1-4H3,(H,13,15)
InChIKeyCUNOMVXHNQOWRX-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.30
Rot. Bonds1

About 1,3-dimethyl-2-propan-2-yl-5H-pyrrolo[3,2-c]pyridin-6-one

1,3-dimethyl-2-propan-2-yl-5H-pyrrolo[3,2-c]pyridin-6-one (PubChem CID 59974886) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 1,3-dimethyl-2-propan-2-yl-5H-pyrrolo[3,2-c]pyridin-6-one.

Molecular Properties

Compound Name1,3-dimethyl-2-propan-2-yl-5H-pyrrolo[3,2-c]pyridin-6-one
PubChem CID59974886
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name1,3-dimethyl-2-propan-2-yl-5H-pyrrolo[3,2-c]pyridin-6-one
SMILESCc1c(C(C)C)n(C)c2cc(=O)[nH]cc12
InChIInChI=1S/C12H16N2O/c1-7(2)12-8(3)9-6-13-11(15)5-10(9)14(12)4/h5-7H,1-4H3,(H,13,15)
InChIKeyCUNOMVXHNQOWRX-UHFFFAOYSA-N
XLogP2.30
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-hydroxy-N-methylmyosmine
CID 52944012
6-hydroxy-N-methylmyosmine(1+)
CID 91820593
6-methyl-1H,2H,3H,5H,6H-pyrrolo[2,3-c]pyridin-5-one
CID 71758441
1,2,3,5-Tetrahydro-6H-pyrrolo(3,2-c)pyridin-6-one
CID 12863119
1-Acetyl-1,2,3,5-tetrahydro-6H-pyrrolo[3,2-c]pyridin-6-one
CID 3645068
1-Formyl-6-oxo-5-azaindoline
CID 12926932
3,7-Dimethyl-2-propan-2-yl-1,5-dihydropyrrolo[3,2-c]pyridin-6-one
CID 22091765
2(1H)-Pyridinone, 4-amino-5-ethyl-
CID 45080020
2-Methyl-1H-pyrrolo[3,2-c]pyridin-6-ol
CID 53413097
1-(2-Methylpropyl)-2,9-dihydropyrido[3,4-b]indol-7-one
CID 53696731
1,3-dimethyl-2-propan-2-yl-6H-pyrrolo[2,3-c]pyridin-5-one
CID 59974883
3-(Aminomethyl)-1,5-dihydropyrrolo[3,2-c]pyridin-6-one
CID 68532236

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2-propan-2-yl-5H-pyrrolo[3,2-c]pyridin-6-one?
The IUPAC name of 1,3-dimethyl-2-propan-2-yl-5H-pyrrolo[3,2-c]pyridin-6-one (CID 59974886) is 1,3-dimethyl-2-propan-2-yl-5H-pyrrolo[3,2-c]pyridin-6-one.
What is the SMILES notation for 1,3-dimethyl-2-propan-2-yl-5H-pyrrolo[3,2-c]pyridin-6-one?
The canonical SMILES for 1,3-dimethyl-2-propan-2-yl-5H-pyrrolo[3,2-c]pyridin-6-one is Cc1c(C(C)C)n(C)c2cc(=O)[nH]cc12.
What is the InChIKey of 1,3-dimethyl-2-propan-2-yl-5H-pyrrolo[3,2-c]pyridin-6-one?
The InChIKey is CUNOMVXHNQOWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-7(2)12-8(3)9-6-13-11(15)5-10(9)14(12)4/h5-7H,1-4H3,(H,13,15).
What are the key properties of 1,3-dimethyl-2-propan-2-yl-5H-pyrrolo[3,2-c]pyridin-6-one?
1,3-dimethyl-2-propan-2-yl-5H-pyrrolo[3,2-c]pyridin-6-one has a molecular weight of 204.27 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2-propan-2-yl-5H-pyrrolo[3,2-c]pyridin-6-one is sourced from PubChem (CID 59974886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).